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SCHEMBL25757841

SCHEMBL25757841

COc1c(NC(=O)OC(C)(C)C)ccn2ncc(C(C)=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.35
▸ EPHB3 P54753 3/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ IRAK4 Q9NWZ3 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ BRD9 Q9H8M2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25757107 0.91 ATR (0.42) ATREPHB3IDO1IRAK4MAPT
SCHEMBL25757792 0.91 ATR (0.35) ATREPHB3IDO1IRAK4MAPT
SCHEMBL25756943 0.88 IDO1 (0.37) ATREPHB3IDO1IRAK4MAPT
SCHEMBL18839993 0.86 MAPT (0.42) MAPTALDH1A1RAB9AGAAHPGD
SCHEMBL30895110 0.86 DGAT1 (0.35) ATREPHB3IDO1IRAK4RAB9A
SCHEMBL30895038 0.86 ITGA4 (0.36) ATRIDO1IRAK4MAPTALDH1A1
SCHEMBL25757793 0.85 NR1I2 (0.34) ATREPHB3IDO1IRAK4MAPT
SCHEMBL27199463 0.84 MAPK1 (0.39) EPHB3IRAK4MAPTALDH1A1NPC1
SCHEMBL30895044 0.84 PCSK9 (0.36) ATRIDO1IRAK4ALDH1A1NAMPT
SCHEMBL25757532 0.83 PCSK9 (0.36) ATRIDO1IRAK4ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO LTD (CN) 2025-04-10 — — US disclosed
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-10-29 — — US disclosed
CN-118401516-A TYK2 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 — — CN disclosed
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-04-18 — — US disclosed
WO-2023109954-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2023-06-22 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240124448-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 ATR 189/4885EPHB3 1493/4885IDO1 570/4885
US-20250115597-A1 TYK2 INHIBITORS AND COMPOSITIONS AND METHODS THEREOF TYK2, JAK2, JAK1 ATR 189/4885EPHB3 1493/4885IDO1 570/4885
US-12129250-B2 TYK2 inhibitors and compositions and methods thereof TYK2, JAK2, JAK1 ATR 189/4885EPHB3 1493/4885IDO1 570/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.